Warning: session_write_close() [function.session-write-close]: open(/tmp/session/sess_1ijqrvtsobgdoilb71irttqef5, O_RDWR) failed: No such file or directory (2) in /domains/zinc12/htdocs/lib/zinc/user/ZincAuthentication.php on line 109

Warning: session_write_close() [function.session-write-close]: Failed to write session data (files). Please verify that the current setting of session.save_path is correct (/tmp/session) in /domains/zinc12/htdocs/lib/zinc/user/ZincAuthentication.php on line 109
Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(chloromethyl)-1-(cyclohexylmethyl)tetrazole 5-(chloromethyl)-1-(cyclohexylme…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.29 6.03 -9.55 0 4 0 44 214.7 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(chloromethyl)-1-[(1S)-1-cyclohexylethyl]tetrazole 5-(chloromethyl)-1-[(1S)-1-cyclo…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.65 6.6 -9.84 0 4 0 44 228.727 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(chloromethyl)-1-[(1R)-1-cyclohexylethyl]tetrazole 5-(chloromethyl)-1-[(1R)-1-cyclo…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.65 6.6 -9.58 0 4 0 44 228.727 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(chloromethyl)-1-[(1S)-1-cyclohexylpropyl]tetrazole 5-(chloromethyl)-1-[(1S)-1-cyclo…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.15 7.51 -9.82 0 4 0 44 242.754 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(chloromethyl)-1-[(1R)-1-cyclohexylpropyl]tetrazole 5-(chloromethyl)-1-[(1R)-1-cyclo…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.15 7.48 -9.6 0 4 0 44 242.754 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(chloromethyl)-1-[[(1S,2R)-2-methylcyclohexyl]methyl]tetrazole 5-(chloromethyl)-1-[[(1S,2R)-2-m…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.53 6.27 -9.26 0 4 0 44 228.727 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(chloromethyl)-1-[[(1S,2S)-2-methylcyclohexyl]methyl]tetrazole 5-(chloromethyl)-1-[[(1S,2S)-2-m…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.53 6.49 -8.83 0 4 0 44 228.727 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(chloromethyl)-1-[[(1R,2R)-2-methylcyclohexyl]methyl]tetrazole 5-(chloromethyl)-1-[[(1R,2R)-2-m…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.53 6.41 -9.71 0 4 0 44 228.727 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(chloromethyl)-1-[[(1R,2S)-2-methylcyclohexyl]methyl]tetrazole 5-(chloromethyl)-1-[[(1R,2S)-2-m…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.53 6.19 -9.97 0 4 0 44 228.727 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(chloromethyl)-1-[(4-ethylcyclohexyl)methyl]tetrazole 5-(chloromethyl)-1-[(4-ethylcycl…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.74 7.02 -9.4 0 4 0 44 242.754 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[1-(cyclohexylmethyl)tetrazol-5-yl]methyl]-2-methyl-propan-1-amine N-[[1-(cyclohexylmethyl)tetrazol…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.39 6.26 -54.08 2 5 1 60 252.386 6 ↓
Hi High (pH 8-9.5) 2.39 5.04 -7.63 1 5 0 56 251.378 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[1-(cyclohexylmethyl)tetrazol-5-yl]methyl]-2-methoxy-ethanamine N-[[1-(cyclohexylmethyl)tetrazol…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.25 3.94 -54.67 2 6 1 69 254.358 7 ↓
Mid Mid (pH 6-8) 1.25 2.6 -9.81 1 6 0 65 253.35 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [1-(cyclohexylmethyl)tetrazol-5-yl]methanamine [1-(cyclohexylmethyl)tetrazol-5-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.90 2.81 -60.66 3 5 1 71 196.278 3 ↓
Hi High (pH 8-9.5) 0.90 2.44 -11.11 2 5 0 70 195.27 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[1-(cyclohexylmethyl)tetrazol-5-yl]-N-methyl-methanamine 1-[1-(cyclohexylmethyl)tetrazol-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.27 3.95 -54.07 2 5 1 60 210.305 4 ↓
Hi High (pH 8-9.5) 1.27 2.51 -8.07 1 5 0 56 209.297 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[1-(cyclohexylmethyl)tetrazol-5-yl]methyl]ethanamine N-[[1-(cyclohexylmethyl)tetrazol…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.65 4.81 -52.97 2 5 1 60 224.332 5 ↓
Hi High (pH 8-9.5) 1.65 3.44 -7.85 1 5 0 56 223.324 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[1-(cyclohexylmethyl)tetrazol-5-yl]methyl]propan-1-amine N-[[1-(cyclohexylmethyl)tetrazol…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.15 5.56 -53.94 2 5 1 60 238.359 6 ↓
Hi High (pH 8-9.5) 2.15 4.21 -7.72 1 5 0 56 237.351 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[1-(cyclohexylmethyl)tetrazol-5-yl]methyl]propan-2-amine N-[[1-(cyclohexylmethyl)tetrazol…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.94 5.33 -49.95 2 5 1 60 238.359 5 ↓
Hi High (pH 8-9.5) 1.94 4.14 -7.79 1 5 0 56 237.351 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[1-(cyclohexylmethyl)tetrazol-5-yl]methyl]-2-methyl-propan-2-amine N-[[1-(cyclohexylmethyl)tetrazol…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.46 5.76 -47.71 2 5 1 60 252.386 5 ↓
Hi High (pH 8-9.5) 2.46 4.52 -7.53 1 5 0 56 251.378 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[1-[(1S)-1-cyclohexylethyl]tetrazol-5-yl]methyl]-2-methyl-propan-1-amine N-[[1-[(1S)-1-cyclohexylethyl]te…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.76 7.6 -53.63 2 5 1 60 266.413 6 ↓
Hi High (pH 8-9.5) 2.76 6.23 -9.63 1 5 0 56 265.405 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[1-[(1R)-1-cyclohexylethyl]tetrazol-5-yl]methyl]-2-methyl-propan-1-amine N-[[1-[(1R)-1-cyclohexylethyl]te…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.76 7.55 -54.53 2 5 1 60 266.413 6 ↓
Hi High (pH 8-9.5) 2.76 6.19 -9.65 1 5 0 56 265.405 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[1-[(1S)-1-cyclohexylethyl]tetrazol-5-yl]methyl]-2-methoxy-ethanamine N-[[1-[(1S)-1-cyclohexylethyl]te…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.62 5.29 -54.3 2 6 1 69 268.385 7 ↓
Mid Mid (pH 6-8) 1.62 3.88 -12.69 1 6 0 65 267.377 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[1-[(1R)-1-cyclohexylethyl]tetrazol-5-yl]methyl]-2-methoxy-ethanamine N-[[1-[(1R)-1-cyclohexylethyl]te…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.62 5.24 -55.1 2 6 1 69 268.385 7 ↓
Mid Mid (pH 6-8) 1.62 3.83 -12.75 1 6 0 65 267.377 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [1-[(1S)-1-cyclohexylethyl]tetrazol-5-yl]methanamine [1-[(1S)-1-cyclohexylethyl]tetra…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.26 3.42 -60.44 3 5 1 71 210.305 3 ↓
Hi High (pH 8-9.5) 1.26 3.05 -10.99 2 5 0 70 209.297 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [1-[(1R)-1-cyclohexylethyl]tetrazol-5-yl]methanamine [1-[(1R)-1-cyclohexylethyl]tetra…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.26 3.37 -60.73 3 5 1 71 210.305 3 ↓
Hi High (pH 8-9.5) 1.26 2.99 -11.03 2 5 0 70 209.297 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[1-[(1S)-1-cyclohexylethyl]tetrazol-5-yl]-N-methyl-methanamine 1-[1-[(1S)-1-cyclohexylethyl]tet…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.63 5.3 -53.78 2 5 1 60 224.332 4 ↓
Hi High (pH 8-9.5) 1.63 3.87 -10.01 1 5 0 56 223.324 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[1-[(1R)-1-cyclohexylethyl]tetrazol-5-yl]-N-methyl-methanamine 1-[1-[(1R)-1-cyclohexylethyl]tet…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.63 5.24 -54.26 2 5 1 60 224.332 4 ↓
Hi High (pH 8-9.5) 1.63 3.81 -10.11 1 5 0 56 223.324 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[1-[(1S)-1-cyclohexylethyl]tetrazol-5-yl]methyl]ethanamine N-[[1-[(1S)-1-cyclohexylethyl]te…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.01 6.16 -52.62 2 5 1 60 238.359 5 ↓
Hi High (pH 8-9.5) 2.01 4.75 -8.24 1 5 0 56 237.351 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[1-[(1R)-1-cyclohexylethyl]tetrazol-5-yl]methyl]ethanamine N-[[1-[(1R)-1-cyclohexylethyl]te…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.01 6.1 -53.26 2 5 1 60 238.359 5 ↓
Hi High (pH 8-9.5) 2.01 4.75 -8.2 1 5 0 56 237.351 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[1-[(1S)-1-cyclohexylethyl]tetrazol-5-yl]methyl]propan-1-amine N-[[1-[(1S)-1-cyclohexylethyl]te…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.51 6.91 -53.48 2 5 1 60 252.386 6 ↓
Hi High (pH 8-9.5) 2.51 5.51 -8.13 1 5 0 56 251.378 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[1-[(1R)-1-cyclohexylethyl]tetrazol-5-yl]methyl]propan-1-amine N-[[1-[(1R)-1-cyclohexylethyl]te…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.51 6.85 -54.22 2 5 1 60 252.386 6 ↓
Hi High (pH 8-9.5) 2.51 5.51 -8.05 1 5 0 56 251.378 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[1-[(1S)-1-cyclohexylethyl]tetrazol-5-yl]methyl]propan-2-amine N-[[1-[(1S)-1-cyclohexylethyl]te…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.31 6.69 -49.47 2 5 1 60 252.386 5 ↓
Hi High (pH 8-9.5) 2.31 5.49 -9.66 1 5 0 56 251.378 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[1-[(1R)-1-cyclohexylethyl]tetrazol-5-yl]methyl]propan-2-amine N-[[1-[(1R)-1-cyclohexylethyl]te…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.31 6.63 -50.31 2 5 1 60 252.386 5 ↓
Hi High (pH 8-9.5) 2.31 5.44 -9.7 1 5 0 56 251.378 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[1-[(1S)-1-cyclohexylethyl]tetrazol-5-yl]methyl]-2-methyl-propan-2-amine N-[[1-[(1S)-1-cyclohexylethyl]te…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.82 7.09 -47.17 2 5 1 60 266.413 5 ↓
Hi High (pH 8-9.5) 2.82 5.89 -9.42 1 5 0 56 265.405 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[1-[(1R)-1-cyclohexylethyl]tetrazol-5-yl]methyl]-2-methyl-propan-2-amine N-[[1-[(1R)-1-cyclohexylethyl]te…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.82 7.05 -48.23 2 5 1 60 266.413 5 ↓
Hi High (pH 8-9.5) 2.82 5.83 -9.52 1 5 0 56 265.405 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[1-[(1S)-1-cyclohexylpropyl]tetrazol-5-yl]methyl]-2-methyl-propan-1-amine N-[[1-[(1S)-1-cyclohexylpropyl]t…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.26 8.49 -52.92 2 5 1 60 280.44 7 ↓
Hi High (pH 8-9.5) 3.26 7.15 -9.71 1 5 0 56 279.432 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[1-[(1R)-1-cyclohexylpropyl]tetrazol-5-yl]methyl]-2-methyl-propan-1-amine N-[[1-[(1R)-1-cyclohexylpropyl]t…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.26 8.47 -52.49 2 5 1 60 280.44 7 ↓
Hi High (pH 8-9.5) 3.26 7.1 -9.68 1 5 0 56 279.432 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[1-[(1S)-1-cyclohexylpropyl]tetrazol-5-yl]methyl]-2-methoxy-ethanamine N-[[1-[(1S)-1-cyclohexylpropyl]t…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.12 6.21 -54.62 2 6 1 69 282.412 8 ↓
Mid Mid (pH 6-8) 2.12 4.78 -12.75 1 6 0 65 281.404 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[1-[(1R)-1-cyclohexylpropyl]tetrazol-5-yl]methyl]-2-methoxy-ethanamine N-[[1-[(1R)-1-cyclohexylpropyl]t…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.12 6.17 -54.18 2 6 1 69 282.412 8 ↓
Mid Mid (pH 6-8) 2.12 4.75 -12.77 1 6 0 65 281.404 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [1-[(1S)-1-cyclohexylpropyl]tetrazol-5-yl]methanamine [1-[(1S)-1-cyclohexylpropyl]tetr…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.76 4.34 -60.75 3 5 1 71 224.332 4 ↓
Hi High (pH 8-9.5) 1.76 3.96 -11.13 2 5 0 70 223.324 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [1-[(1R)-1-cyclohexylpropyl]tetrazol-5-yl]methanamine [1-[(1R)-1-cyclohexylpropyl]tetr…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.76 4.3 -59.87 3 5 1 71 224.332 4 ↓
Hi High (pH 8-9.5) 1.76 3.92 -10.99 2 5 0 70 223.324 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[1-[(1S)-1-cyclohexylpropyl]tetrazol-5-yl]-N-methyl-methanamine 1-[1-[(1S)-1-cyclohexylpropyl]te…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.14 6.21 -54.04 2 5 1 60 238.359 5 ↓
Hi High (pH 8-9.5) 2.14 4.78 -10.1 1 5 0 56 237.351 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[1-[(1R)-1-cyclohexylpropyl]tetrazol-5-yl]-N-methyl-methanamine 1-[1-[(1R)-1-cyclohexylpropyl]te…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.14 6.17 -53.35 2 5 1 60 238.359 5 ↓
Hi High (pH 8-9.5) 2.14 4.74 -10.12 1 5 0 56 237.351 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[1-[(1S)-1-cyclohexylpropyl]tetrazol-5-yl]methyl]ethanamine N-[[1-[(1S)-1-cyclohexylpropyl]t…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.51 7.08 -52.87 2 5 1 60 252.386 6 ↓
Hi High (pH 8-9.5) 2.51 5.7 -9.99 1 5 0 56 251.378 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[1-[(1R)-1-cyclohexylpropyl]tetrazol-5-yl]methyl]ethanamine N-[[1-[(1R)-1-cyclohexylpropyl]t…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.51 7.03 -52.23 2 5 1 60 252.386 6 ↓
Hi High (pH 8-9.5) 2.51 5.67 -9.93 1 5 0 56 251.378 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[1-[(1S)-1-cyclohexylpropyl]tetrazol-5-yl]methyl]propan-1-amine N-[[1-[(1S)-1-cyclohexylpropyl]t…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.02 7.82 -53.73 2 5 1 60 266.413 7 ↓
Hi High (pH 8-9.5) 3.02 6.44 -8.25 1 5 0 56 265.405 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[1-[(1R)-1-cyclohexylpropyl]tetrazol-5-yl]methyl]propan-1-amine N-[[1-[(1R)-1-cyclohexylpropyl]t…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.02 7.79 -53.09 2 5 1 60 266.413 7 ↓
Hi High (pH 8-9.5) 3.02 6.38 -8.08 1 5 0 56 265.405 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[1-[(1S)-1-cyclohexylpropyl]tetrazol-5-yl]methyl]propan-2-amine N-[[1-[(1S)-1-cyclohexylpropyl]t…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.81 7.6 -49.71 2 5 1 60 266.413 6 ↓
Hi High (pH 8-9.5) 2.81 6.41 -9.77 1 5 0 56 265.405 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[1-[(1R)-1-cyclohexylpropyl]tetrazol-5-yl]methyl]propan-2-amine N-[[1-[(1R)-1-cyclohexylpropyl]t…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.81 7.56 -49.19 2 5 1 60 266.413 6 ↓
Hi High (pH 8-9.5) 2.81 6.37 -9.74 1 5 0 56 265.405 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[1-[(1S)-1-cyclohexylpropyl]tetrazol-5-yl]methyl]-2-methyl-propan-2-amine N-[[1-[(1S)-1-cyclohexylpropyl]t…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.32 8.01 -47.45 2 5 1 60 280.44 6 ↓
Hi High (pH 8-9.5) 3.32 6.8 -9.6 1 5 0 56 279.432 6 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[1-[(1R)-1-cyclohexylpropyl]tetrazol-5-yl]methyl]-2-methyl-propan-2-amine N-[[1-[(1R)-1-cyclohexylpropyl]t…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.32 7.98 -46.98 2 5 1 60 280.44 6 ↓
Hi High (pH 8-9.5) 3.32 6.76 -9.53 1 5 0 56 279.432 6 ↓

Parameters Provided:

ring.id = 151588
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 151588 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=151588&filter.purchasability=annotated

Embed Link to Results